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Substance Name: Butyric acid, 2-((4-(3-acetamido-2,4,6-triiodophenoxy)butoxy)methyl)-, sodium salt
RN: 100700-23-0
InChIKey: HUMXKLWSBCTPRY-UHFFFAOYSA-M

Molecular Formula

  • C17-H21-I3-N-O5.Na

Molecular Weight

  • 723.045
 
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Names and Synonyms

Synonym

  • 2-((4-(3-Acetamido-2,4,6-triiodophenoxy)butoxy)methyl)butyric acid sodium salt

Systematic Name

  • Butyric acid, 2-((4-(3-acetamido-2,4,6-triiodophenoxy)butoxy)methyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 100700-23-0

System Generated Number

  • 0100700230

Molecular Formulas

Molecular Formula

  • C17-H21-I3-N-O5.Na

Molecular Formula Fragments

  • C17-H21-I3-N-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C17H22I3NO5.Na/c1-3-11(17(23)24)9-25-6-4-5-7-26-16-13(19)8-12(18)15(14(16)20)21-10(2)22;/h8,11H,3-7,9H2,1-2H3,(H,21,22)(H,23,24);/q;+1/p-1

InChIKey

HUMXKLWSBCTPRY-UHFFFAOYSA-M

Smiles

c1(c(c(c(I)cc1I)NC(C)=O)I)OCCCCOC[C@@H](C(=O)[O-])CC.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 610mg/kg (610mg/kg)   Farmaco, Edizione Scientifica. Vol. 31, Pg. 349, 1976.
mouse LD50 oral 2200mg/kg (2200mg/kg)   Farmaco, Edizione Scientifica. Vol. 31, Pg. 349, 1976.